1,3-bis[(Z)-2-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]ethenyl]naphthalene

C58H48 — CID 147683852

IUPAC1,3-bis[(Z)-2-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]ethenyl]naphthalene
SMILESCc1ccc(C(=Cc2ccc(/C=C\c3cc(/C=C\c4ccc(C=C(c5ccc(C)cc5)c5ccc(C)cc5)cc4)c4ccccc4c3)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C58H48/c1-41-9-28-50(29-10-41)57(51-30-11-42(2)12-31-51)39-47-22-17-45(18-23-47)21-26-49-37-54-7-5-6-8-56(54)55(38-49)36-27-46-19-24-48(25-20-46)40-58(52-32-13-43(3)14-33-52)53-34-15-44(4)16-35-53/h5-40H,1-4H3/b26-21-,36-27-
InChIKeyGPQGYJYXOUBFNU-FVUVSXIISA-N
MW745.02 g/mol
LogP15.59
Rot. Bonds10

About 1,3-bis[(Z)-2-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]ethenyl]naphthalene

1,3-bis[(Z)-2-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]ethenyl]naphthalene (PubChem CID 147683852) has the molecular formula C58H48 and a molecular weight of 745.02 g/mol. Its IUPAC name is 1,3-bis[(Z)-2-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]ethenyl]naphthalene.

Molecular Properties

Compound Name1,3-bis[(Z)-2-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]ethenyl]naphthalene
PubChem CID147683852
Molecular FormulaC58H48
Molecular Weight745.02 g/mol
Exact Mass744.38
IUPAC Name1,3-bis[(Z)-2-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]ethenyl]naphthalene
SMILESCc1ccc(C(=Cc2ccc(/C=C\c3cc(/C=C\c4ccc(C=C(c5ccc(C)cc5)c5ccc(C)cc5)cc4)c4ccccc4c3)cc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C58H48/c1-41-9-28-50(29-10-41)57(51-30-11-42(2)12-31-51)39-47-22-17-45(18-23-47)21-26-49-37-54-7-5-6-8-56(54)55(38-49)36-27-46-19-24-48(25-20-46)40-58(52-32-13-43(3)14-33-52)53-34-15-44(4)16-35-53/h5-40H,1-4H3/b26-21-,36-27-
InChIKeyGPQGYJYXOUBFNU-FVUVSXIISA-N
XLogP15.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500745.02
LogP ≤ 515.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis[(Z)-2-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]ethenyl]naphthalene?
The IUPAC name of 1,3-bis[(Z)-2-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]ethenyl]naphthalene (CID 147683852) is 1,3-bis[(Z)-2-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]ethenyl]naphthalene.
What is the SMILES notation for 1,3-bis[(Z)-2-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]ethenyl]naphthalene?
The canonical SMILES for 1,3-bis[(Z)-2-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]ethenyl]naphthalene is Cc1ccc(C(=Cc2ccc(/C=C\c3cc(/C=C\c4ccc(C=C(c5ccc(C)cc5)c5ccc(C)cc5)cc4)c4ccccc4c3)cc2)c2ccc(C)cc2)cc1.
What is the InChIKey of 1,3-bis[(Z)-2-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]ethenyl]naphthalene?
The InChIKey is GPQGYJYXOUBFNU-FVUVSXIISA-N. The full InChI is InChI=1S/C58H48/c1-41-9-28-50(29-10-41)57(51-30-11-42(2)12-31-51)39-47-22-17-45(18-23-47)21-26-49-37-54-7-5-6-8-56(54)55(38-49)36-27-46-19-24-48(25-20-46)40-58(52-32-13-43(3)14-33-52)53-34-15-44(4)16-35-53/h5-40H,1-4H3/b26-21-,36-27-.
What are the key properties of 1,3-bis[(Z)-2-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]ethenyl]naphthalene?
1,3-bis[(Z)-2-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]ethenyl]naphthalene has a molecular weight of 745.02 g/mol, XLogP of 15.59, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[(Z)-2-[4-[2,2-bis(4-methylphenyl)ethenyl]phenyl]ethenyl]naphthalene is sourced from PubChem (CID 147683852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).